NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3195 8.1693 120.9905 55.6564 41.6825 175.4369 1 R 4.4962 8.2177 116.5896 53.9663 32.7909 172.6212 2 A 4.6062 8.5092 120.1593 50.4437 22.4406 176.9113 3 V 4.4647 8.1639 121.8911 60.0438 34.6917 173.3844 4 P 4.3264 0.0000 0.0000 63.0108 31.6026 176.4259 5 G 3.8371 8.7581 110.1378 45.0654 0.0000 173.0185 6 G 3.7753 7.9642 105.3338 43.9723 0.0000 173.1528 7 S 4.2091 7.9980 112.9510 57.7239 62.9189 173.7682 8 S 4.3499 8.3182 121.3116 57.1205 62.9657 172.0997 9 P 4.0486 0.0000 0.0000 62.6433 31.9458 177.7598 10 A 4.2961 7.8227 123.8655 50.5738 15.4459 178.2261 11 W 4.3614 7.9999 125.4525 59.5030 29.7820 178.1957 12 T 4.0593 8.0334 109.2257 64.9090 68.3088 176.6092 13 Q 3.9513 7.9746 120.4375 58.8990 28.8282 178.2665 14 C 3.7539 8.1038 117.9028 62.4305 27.9879 175.7720 15 Q 4.1491 8.5316 121.6772 59.5530 28.6458 178.6617 16 Q 4.0465 8.0893 118.9159 58.9072 28.7838 178.5913 17 L 4.0724 8.3403 120.8065 57.5598 41.4894 179.6655 18 S 4.2559 8.3016 114.5654 61.2638 63.1359 176.2699 19 Q 3.9788 8.1245 123.1730 58.9583 28.7720 178.1636 20 K 3.9361 8.1036 120.5530 59.7190 32.1086 178.7025 21 L 4.0405 8.0052 119.1661 57.7672 41.5396 179.3266 22 C 4.3073 8.0179 116.4928 63.0604 27.8829 176.0540 23 T 3.9678 7.6710 115.9355 66.7879 68.4162 176.3064 24 L 4.1669 8.2245 120.5680 57.8723 41.4025 179.4784 25 A 3.9709 8.4681 121.0671 54.6559 18.0929 178.8687 26 W 4.3412 7.9166 114.1244 57.7038 29.5375 178.0745 27 S 4.4746 8.0858 113.3037 59.6842 63.0116 174.1338 28 A 4.2320 7.4832 127.9009 52.9230 16.2050 179.1579 *29 H 3.6485 7.9098 115.5700 56.4552 29.0428 175.7240 *47 N 4.6916 7.6581 118.2455 53.5182 39.2497 177.5554 48 D 4.6226 8.3751 112.9225 54.2706 41.6625 176.3498 49 V 2.5000 7.9087 119.4951 63.3578 31.6015 174.1468 50 P 4.2380 0.0000 0.0000 62.7553 32.0176 175.3018 51 H 5.0116 8.2018 116.5775 53.7882 32.1951 173.7387 52 I 3.8001 8.5725 123.6246 62.0226 36.0513 175.9588 53 Q 4.4298 8.8979 125.7831 54.3355 30.1378 177.0772 54 C 4.1548 8.5288 118.7112 62.4580 31.4871 174.7358 55 G 3.6963 7.9940 107.5452 47.4723 0.0000 174.3615 56 D 4.2520 7.9741 119.1920 54.9912 41.0481 178.0132 57 G 4.1102 7.6305 107.8721 45.7511 0.0000 173.7925 58 C 4.4862 7.9249 116.0484 57.9408 35.4561 174.3213 59 D 4.6001 7.8030 120.3381 52.3725 40.5999 175.0306 60 P 4.1012 0.0000 0.0000 66.2299 31.4867 178.9629 61 Q 4.0773 8.0896 116.0651 58.9414 28.6040 178.9210 62 G 3.8232 8.5722 106.4880 47.4365 0.0000 175.7922 63 L 4.1461 7.5507 120.5832 57.7476 41.7727 178.5107 64 R 4.0434 7.2890 116.6203 59.6396 30.3041 177.6466 65 D 4.5070 7.5042 115.1962 56.6899 40.9732 177.2776 66 N 4.7022 7.9671 118.1560 51.9808 41.4234 174.7389 67 S 4.6672 8.7718 121.2707 59.8387 63.7341 176.0902 68 Q 4.0723 8.1231 122.4123 59.1134 28.3999 178.0426 69 F 4.2251 7.7908 118.1725 60.9985 38.9602 177.8312 70 C 4.3983 8.3214 118.2314 59.3700 39.2853 175.7254 71 L 4.0696 8.3783 120.6701 57.7797 41.1720 179.4373 72 Q 2.8955 8.2729 119.8215 58.8073 28.9112 178.1971 73 R 3.9030 8.0685 119.7870 59.3621 29.9910 178.6290 74 I 3.9487 8.3469 120.1722 64.5796 37.1492 177.5464 75 H 4.2241 8.9371 119.5085 59.5980 29.6881 176.5844 76 Q 4.0957 8.3174 121.2185 59.4837 28.7246 179.0128 77 G 3.3539 8.2388 106.3429 47.6509 0.0000 175.6021 78 L 4.1401 8.4479 121.9650 57.6423 41.6671 179.6821 79 I 3.7712 7.9096 112.9868 63.4808 37.6607 178.0112 80 F 3.8860 8.1777 122.5454 61.4743 39.2001 176.8016 81 Y 3.9203 8.1859 116.6757 60.8548 37.6489 178.1976 82 E 3.9200 8.4824 118.8961 59.2430 29.3574 179.1573 83 K 3.8834 7.7199 119.8320 59.1563 32.6341 178.5226 84 L 4.0316 7.3187 118.8268 57.8385 41.3316 179.5505 85 L 3.3392 7.8009 117.7890 57.0172 41.5808 179.0993 86 G 3.7347 7.9600 104.1521 45.2668 0.0000 173.8074 87 S 4.5724 7.5024 116.2424 56.6861 64.6611 174.3746 88 D 4.3410 8.7456 119.0335 57.5988 40.8684 178.2084 89 I 3.6513 7.2441 117.9934 64.0627 37.1278 176.7520 90 F 4.6138 8.3473 116.3902 57.7475 39.6996 176.3735 91 T 4.6990 7.6776 110.8469 61.1317 69.2949 174.9960 92 G 3.7303 8.1629 109.6318 47.6604 0.0000 175.9391 93 E 4.1498 8.9006 116.7597 54.7845 31.1622 175.8502 94 P 4.0005 0.0000 0.0000 61.7329 33.2399 175.3283 *100 S 4.2500 8.2153 112.7984 57.9693 63.0300 172.4659 101 P 4.5177 0.0000 0.0000 64.1775 31.4254 178.5557 102 V 3.6278 7.7865 119.0840 66.0048 31.3298 177.9301 103 G 3.5815 8.0173 105.0513 47.9947 0.0000 175.3341 104 Q 4.0582 8.0094 121.7535 58.2006 29.0504 177.7475 105 L 3.8759 8.0732 121.7631 58.2485 42.1960 178.0705 106 H 3.9755 8.2707 118.0472 59.5328 29.7832 176.9772 107 A 3.9956 7.8345 121.9211 55.2627 18.1712 179.7063 108 S 4.1997 8.1135 113.5894 61.1766 62.9516 176.8140 109 L 4.0182 8.2287 122.4006 57.7575 41.2740 179.4864 110 L 4.1402 7.3466 120.3378 57.1274 41.3332 179.6451 111 G 3.6511 7.8493 104.5054 47.7859 0.0000 175.1778 112 L 4.0536 7.9099 123.1022 57.8147 41.7588 179.0896 113 S 4.2775 8.1419 114.2825 61.7341 62.7465 176.4148 114 Q 4.2247 8.4549 121.8577 58.8289 28.2073 178.9084 115 L 4.0388 7.4689 118.7656 57.4047 41.6665 178.9943 116 L 4.4138 7.4914 117.3280 55.7318 41.9650 177.0555 117 Q 3.5822 7.2378 116.4746 54.2138 27.7542 174.1150 118 P 4.1269 0.0000 0.0000 61.4813 32.3050 175.6320 119 E 3.8813 8.1825 121.1681 57.5770 29.9103 177.1954 120 G 3.9494 8.9167 114.7529 45.5529 0.0000 173.4367 121 H 4.4504 7.4629 115.0676 55.5795 28.5296 174.6763 122 H 4.1606 7.8307 115.6528 56.4635 26.0777 176.4428 123 W 4.5108 8.2260 118.4220 59.3108 29.5001 177.3946 124 E 4.3387 7.6436 117.3787 56.6977 28.7650 174.8090 125 T 4.3324 7.6706 114.2395 64.5791 72.2889 177.2434 *137 W 4.8698 7.3482 135.0000 58.0090 31.9462 175.4714 138 Q 4.2430 7.7763 116.0946 56.5269 28.8923 177.6376 139 R 3.9168 8.1963 118.9984 59.5054 30.1557 178.6136 140 L 4.0563 7.9865 117.8393 57.2788 41.4827 179.3305 141 L 4.1239 7.8783 120.5444 57.9751 42.2187 178.5423 142 L 4.0207 7.8938 118.4085 58.1736 41.7206 179.7555 143 R 3.9331 8.5864 118.0677 58.7696 29.8454 179.0278 144 F 4.2089 7.9305 119.3541 61.2533 39.3443 177.3928 145 K 3.8753 8.2874 118.1650 59.4624 31.7694 179.5051 146 I 3.8841 8.3504 120.3744 64.4806 37.1605 178.4706 147 L 3.8979 7.8672 119.4350 57.7809 40.8902 179.7340 148 R 3.7778 7.5232 119.2601 58.7016 29.8617 179.1287 149 S 4.1565 7.8013 112.6230 61.1239 62.3067 175.8923 150 L 3.2566 7.9386 123.3495 57.7839 41.2124 178.7266 151 Q 3.8286 7.8365 117.8157 58.9420 28.4703 178.8886 152 A 4.0829 7.5584 120.5498 55.2942 18.4779 179.5359 153 F 4.1128 8.0637 119.0223 61.4632 39.5173 177.8233 154 V 3.7010 8.4141 118.9316 64.4841 31.2499 178.2858 155 A 4.0133 7.9043 121.4646 54.9239 18.2148 179.6152 156 V 3.4106 7.4555 116.6149 66.0716 31.5226 177.7758 157 A 3.6095 7.5811 120.1341 55.2542 18.1804 179.3066 158 A 4.3533 8.2990 120.6872 54.8462 18.3397 180.1104 159 R 3.8520 7.8786 116.0027 59.3839 30.1006 179.0292 160 V 3.5229 7.7086 117.9745 66.5360 31.3336 178.1874 161 F 4.8936 8.3558 117.1707 60.4955 38.6659 177.7519 162 A 4.0597 8.3306 120.7317 55.3183 18.2428 179.1276 163 H 4.1239 8.5605 117.1583 59.2210 29.9600 177.6862 164 G 2.2272 8.1916 107.5473 47.4219 0.0000 175.3871 165 A 3.9757 7.8742 122.3312 54.3495 18.3474 178.7652 166 A 4.3178 7.4137 117.4638 53.2574 19.6833 178.4888 167 T 4.3084 7.4508 105.9415 62.0333 70.5325 175.3402 168 L 4.1183 7.5138 120.4868 55.4060 42.3032 176.8112 169 S 4.3439 7.6807 117.3425 58.1850 63.1127 173.7742 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 L 8.17 4.32 0.00 1.75 1.75 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 1 R 8.22 4.50 0.00 1.96 1.91 0.00 2.98 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 2 A 8.51 4.61 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.16 4.46 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 4 P 0.00 4.33 0.00 2.08 1.97 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 5 G 8.76 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 7.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.00 4.21 0.00 3.77 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.32 4.35 0.00 3.92 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.05 0.00 0.55 1.32 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 10 A 7.82 4.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.00 4.36 0.00 3.44 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.03 4.06 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 13 Q 7.97 3.95 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 14 C 8.10 3.75 0.00 2.68 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.53 4.15 0.00 2.49 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 16 Q 8.09 4.05 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 17 L 8.34 4.07 0.00 1.68 1.66 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.30 4.26 0.00 4.28 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.12 3.98 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 20 K 8.10 3.94 0.00 2.05 2.00 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 21 L 8.01 4.04 0.00 2.01 1.76 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.02 4.31 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.67 3.97 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 24 L 8.22 4.17 0.00 1.85 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.47 3.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 7.92 4.34 0.00 3.29 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.09 4.47 0.00 3.95 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.48 4.23 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 H 7.91 3.65 0.00 3.02 2.85 0.00 7.24 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 N 7.66 4.69 0.00 2.76 2.68 0.00 0.00 6.30 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.38 4.62 0.00 2.64 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.91 2.50 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.97 0.00 0.00 50 P 0.00 4.24 0.00 2.03 1.74 0.00 2.20 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 51 H 8.20 5.01 0.00 3.13 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.57 3.80 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.49 0.87 0.00 0.00 53 Q 8.90 4.43 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 54 C 8.53 4.15 0.00 2.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.99 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.97 4.25 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.63 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.92 4.49 0.00 2.94 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.80 4.60 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.10 0.00 2.10 1.92 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 61 Q 8.09 4.08 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 62 G 8.57 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.55 4.15 0.00 1.83 1.76 1.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.29 4.04 0.00 1.80 2.01 0.00 3.32 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 65 D 7.50 4.51 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.97 4.70 0.00 2.76 3.03 0.00 0.00 7.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.77 4.67 0.00 4.45 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.12 4.07 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 69 F 7.79 4.23 0.00 3.11 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 8.32 4.40 0.00 3.16 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.38 4.07 0.00 2.05 1.96 1.05 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.27 2.90 0.00 1.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 1.87 1.16 0.00 73 R 8.07 3.90 0.00 1.97 2.10 0.00 3.21 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 74 I 8.35 3.95 2.12 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 1.16 0.00 0.00 75 H 8.94 4.22 0.00 3.56 3.64 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.32 4.10 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 77 G 8.24 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.45 4.14 0.00 1.96 1.83 1.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.91 3.77 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 0.82 0.00 0.00 80 F 8.18 3.89 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.19 3.92 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.48 3.92 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 83 K 7.72 3.88 0.00 1.79 1.77 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.43 7.81 84 L 7.32 4.03 0.00 1.76 1.72 0.67 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.80 3.34 0.00 1.45 1.49 0.55 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.50 4.57 0.00 4.05 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.75 4.34 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.24 3.65 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.66 0.00 0.00 90 F 8.35 4.61 0.00 3.15 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.68 4.70 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 92 G 8.16 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.90 4.15 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 94 P 0.00 4.00 0.00 2.07 2.05 0.00 3.96 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 *100 S 8.22 4.25 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.52 0.00 2.33 2.31 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 102 V 7.79 3.63 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.05 0.00 0.00 103 G 8.02 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.01 4.06 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 105 L 8.07 3.88 0.00 1.98 1.57 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.27 3.98 0.00 3.21 3.43 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.83 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.11 4.20 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.23 4.02 0.00 1.83 1.72 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.35 4.14 0.00 1.89 1.68 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.91 4.05 0.00 1.94 1.72 1.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.14 4.28 0.00 4.10 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.45 4.22 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 115 L 7.47 4.04 0.00 1.69 1.57 0.78 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.49 4.41 0.00 2.01 2.05 1.25 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.24 3.58 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 118 P 0.00 4.13 0.00 1.70 1.71 0.00 2.20 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.07 0.00 119 E 8.18 3.88 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 120 G 8.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 7.46 4.45 0.00 2.67 3.13 0.00 6.01 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.83 4.16 0.00 3.39 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.23 4.51 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.64 4.34 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 125 T 7.67 4.33 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 *137 W 7.35 4.87 0.00 3.23 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 7.78 4.24 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.66 0.00 0.00 0.00 0.00 0.00 1.90 1.28 0.00 139 R 8.20 3.92 0.00 1.89 2.04 0.00 3.23 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.01 0.00 140 L 7.99 4.06 0.00 1.71 1.71 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.88 4.12 0.00 1.75 1.77 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.89 4.02 0.00 1.84 1.70 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.59 3.93 0.00 1.73 1.80 0.00 2.89 0.00 0.00 2.90 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.67 0.00 144 F 7.93 4.21 0.00 3.22 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.29 3.88 0.00 1.99 1.88 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.83 1.70 7.81 146 I 8.35 3.88 2.17 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.79 1.23 0.00 0.00 147 L 7.87 3.90 0.00 1.73 1.60 1.12 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.52 3.78 0.00 1.57 1.73 0.00 2.88 0.00 0.00 2.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.00 149 S 7.80 4.16 0.00 3.99 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.94 3.26 0.00 1.33 1.56 0.21 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.84 3.83 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 1.25 1.99 0.00 152 A 7.56 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.06 4.11 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 8.41 3.70 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 0.00 0.00 155 A 7.90 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.46 3.41 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 157 A 7.58 3.61 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.30 4.35 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.88 3.85 0.00 2.06 1.95 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 160 V 7.71 3.52 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 161 F 8.36 4.89 0.00 3.22 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.33 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 8.56 4.12 0.00 3.27 3.42 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.87 3.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.41 4.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.45 4.31 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 168 L 7.51 4.12 0.00 1.21 1.57 0.45 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 169 S 7.68 4.34 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.